%chk=000239378.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239378

0 1
Br -4.189460 -0.633389 2.160563
O -1.839806 0.450059 -2.310083
O -1.193023 -0.282221 2.998859
N -4.106187 -0.419625 -0.755027
C 0.950889 0.250655 -1.262272
C 1.248970 -0.061516 1.329547
C -0.354022 0.109029 -0.481631
C -0.199224 -0.052164 0.851539
C 1.766085 -0.988602 -0.895971
C 1.683394 1.415013 -0.596788
C 1.927042 -1.158232 0.509683
C 1.844266 1.245948 0.808947
C -2.846444 -0.123255 -0.211736
C -1.675186 0.165321 -1.148386
C -5.327659 0.414950 -0.558660
C -4.688529 0.290762 -1.929013
C -1.344362 -0.209682 1.803733
C -2.661960 -0.266757 1.122456
C 2.323308 -1.894308 -1.782447
C 2.171034 2.545411 -1.229986
C 2.642030 -2.231943 1.012260
C 2.489661 2.209569 1.564888
C 3.050587 -2.984959 -1.267023
C 2.827687 3.523163 -0.457300
C 3.207077 -3.151032 0.106697
C 2.984108 3.358184 0.916520
H 0.792144 0.381628 -2.349678
H 1.340516 -0.194125 2.425586
H -5.277250 1.356257 -0.005392
H -6.235834 -0.148156 -0.312638
H -5.128234 -0.361326 -2.692616
H -4.165877 1.135571 -2.388617
H 2.206994 -1.774974 -2.857403
H 2.054662 2.684580 -2.302586
H 2.769387 -2.371960 2.083753
H 2.616818 2.090897 2.639024
H 3.492216 -3.703120 -1.956562
H 3.215099 4.415732 -0.946601
H 3.770911 -3.999327 0.492536
H 3.493572 4.121748 1.502827


%chk=000239378-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239378

0 1
Br -4.186661 -0.595004 2.395389
O -1.858978 0.226407 -2.368700
O -1.138535 -0.415946 3.048662
N -4.105686 -0.201389 -0.813966
C 0.949662 0.200974 -1.268654
C 1.248671 -0.082029 1.324076
C -0.362499 0.043787 -0.497041
C -0.205115 -0.105581 0.856785
C 1.795154 -1.032730 -0.892303
C 1.667251 1.398619 -0.612114
C 1.952262 -1.188385 0.510720
C 1.824778 1.246880 0.791495
C -2.889307 -0.120827 -0.186426
C -1.688027 0.060088 -1.120450
C -5.430486 0.417213 -0.595018
C -4.700660 0.527408 -1.946255
C -1.352403 -0.280554 1.798249
C -2.686475 -0.285101 1.183382
C 2.389009 -1.942796 -1.782520
C 2.150295 2.544738 -1.265108
C 2.698477 -2.257843 1.033207
C 2.461441 2.242082 1.551596
C 3.145828 -3.023483 -1.259275
C 2.795806 3.552048 -0.501266
C 3.298926 -3.179948 0.136971
C 2.949895 3.402039 0.895563
H 0.790235 0.317552 -2.350858
H 1.334312 -0.203856 2.413513
H -5.470731 1.306706 0.043725
H -6.269022 -0.276796 -0.484358
H -5.026946 -0.089902 -2.788805
H -4.253473 1.487851 -2.223495
H 2.268291 -1.822779 -2.865052
H 2.029593 2.661443 -2.348049
H 2.814567 -2.379353 2.115912
H 2.578670 2.125655 2.634744
H 3.611411 -3.742442 -1.942473
H 3.174808 4.452114 -0.997944
H 3.882963 -4.019101 0.530687
H 3.448104 4.186046 1.476459


